EVODEX.1-P4541 - Partial Reaction

SMIRKS

[H][O:36][C:37]([C:38]([O:39][C:40]([C:41]1:[C:42]([H:75]):[C:43]([H:76]):[C:44]([H:77]):[C:45]([H:78]):[C:46]:1[H:79])([H:80])[H:81])([H:82])[H:83])([H:84])[H:85]>>[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(OC2([H])[C@@]([H])(O[H])[C@@]([H])(C([H])([H])O[H])O[C@@]([H])([O:36][C:37]([C:38]([O:39][C:40]([C:41]3:[C:42]([H:75]):[C:43]([H:76]):[C:44]([H:77]):[C:45]([H:78]):[C:46]:3[H:79])([H:80])[H:81])([H:82])[H:83])([H:84])[H:85])[C@]2([H])N([H])C(=O)C([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]1([H])O[H]

Derived Operators

EVODEX.1-F394 - Elemental Balance

O	10
C	14
N	1
H	23

EVODEX.1-M390 - Mass Difference

365.13219

EVODEX.1-E1199 - Reaction Operator E

[#8:36](-[#6:37])-[H]>>[#6](-[#6](=[#8])-[#7](-[#6@]1(-[H])-[#6](-[#8]-[#6@]2(-[H])-[#8]-[#6@@](-[#6](-[#8]-[H])(-[H])-[H])(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@]-2(-[#8]-[H])-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@](-[#6](-[#8]-[H])(-[H])-[H])(-[H])-[#8]-[#6@]-1(-[#8:36]-[#6:37])-[H])-[H])(-[H])(-[H])-[H]

EVODEX.1-C542 - Reaction Operator C

[H]-[#8:36]>>[H]-[#8]-[#6](-[H])(-[H])-[#6@@]1(-[H])-[#8]-[#6@@](-[H])(-[#8]-[#6]2(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@@](-[H])(-[#6](-[H])(-[H])-[#8]-[H])-[#8]-[#6@@](-[H])(-[#8:36])-[#6@]-2(-[H])-[#7](-[H])-[#6](=[#8])-[#6](-[H])(-[H])-[H])-[#6@](-[H])(-[#8]-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@@]-1(-[H])-[#8]-[H]

EVODEX.1-N691 - Reaction Operator N

[H]-[#8:36]-[#6:37]>>[H]-[#8]-[#6](-[H])(-[H])-[#6@@]1(-[H])-[#8]-[#6@@](-[H])(-[#8]-[#6]2(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@@](-[H])(-[#6](-[H])(-[H])-[#8]-[H])-[#8]-[#6@@](-[H])(-[#8:36]-[#6:37])-[#6@]-2(-[H])-[#7](-[H])-[#6](=[#8])-[#6](-[H])(-[H])-[H])-[#6@](-[H])(-[#8]-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@@]-1(-[H])-[#8]-[H]

EVODEX.1-Em12 - Reaction Operator Em

[H]-[#8:36]-[#6:37]>>[#8]-[#6](-[H])(-[#8:36]-[#6:37])-[#6]

EVODEX.1-Cm7 - Reaction Operator Cm

[H]-[#8:28]>>[#6]-[#8:28]

EVODEX.1-Nm16 - Reaction Operator Nm

[H]-[#8:36]-[#6:37]>>[#8]-[#6](-[H])(-[#8:36]-[#6:37])-[#6]

Source Full Reactions

EVODEX.1-R5376

[C:1]([C:2](=[O:3])[N:4]([C@:5]1([H:47])[C:6]([O:7][C@:8]2([H:48])[O:9][C@@:10]([C:11]([O:12][H:49])([H:50])[H:51])([H:52])[C@@:13]([O:14][H:53])([H:54])[C@@:15]([O:16][H:55])([H:56])[C@:17]2([O:18][H:57])[H:58])([H:59])[C@:19]([O:20][H:60])([H:61])[C@:21]([C:22]([O:23][H:62])([H:63])[H:64])([H:65])[O:24][C@@:25]1([O:26][C:27]1:[C:28]([H:66]):[C:29]([H:67]):[C:30]([N+:31](=[O:32])[O-:33]):[C:34]([H:68]):[C:35]:1[H:69])[H:70])[H:71])([H:72])([H:73])[H:74].[H][O:36][C:37]([C:38]([O:39][C:40]([C:41]1:[C:42]([H:75]):[C:43]([H:76]):[C:44]([H:77]):[C:45]([H:78]):[C:46]:1[H:79])([H:80])[H:81])([H:82])[H:83])([H:84])[H:85]>>[C:1]([C:2](=[O:3])[N:4]([C@:5]1([H:47])[C:6]([O:7][C@:8]2([H:48])[O:9][C@@:10]([C:11]([O:12][H:49])([H:50])[H:51])([H:52])[C@@:13]([O:14][H:53])([H:54])[C@@:15]([O:16][H:55])([H:56])[C@:17]2([O:18][H:57])[H:58])([H:59])[C@:19]([O:20][H:60])([H:61])[C@:21]([C:22]([O:23][H:62])([H:63])[H:64])([H:65])[O:24][C@:25]1([O:36][C:37]([C:38]([O:39][C:40]([C:41]1:[C:42]([H:75]):[C:43]([H:76]):[C:44]([H:77]):[C:45]([H:78]):[C:46]:1[H:79])([H:80])[H:81])([H:82])[H:83])([H:84])[H:85])[H:70])[H:71])([H:72])([H:73])[H:74].[H][O:26][C:27]1:[C:28]([H:66]):[C:29]([H:67]):[C:30]([N+:31](=[O:32])[O-:33]):[C:34]([H:68]):[C:35]:1[H:69]